ChemSpider 2D Image | 2-Oxotetrahydro-3-furanyl 3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3(2H)-yl]propanoate | C13H12N2O6S

2-Oxotetrahydro-3-furanyl 3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3(2H)-yl]propanoate

  • Molecular FormulaC13H12N2O6S
  • Average mass324.309 Da
  • Monoisotopic mass324.041595 Da
  • ChemSpider ID22802092

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,3,4-Oxadiazole-3(2H)-propanoic acid, 2-oxo-5-(2-thienyl)-, tetrahydro-2-oxo-3-furanyl ester [ACD/Index Name]
2-Oxotetrahydro-3-furanyl 3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3(2H)-yl]propanoate [ACD/IUPAC Name]
2-Oxotetrahydro-3-furanyl-3-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3(2H)-yl]propanoat [German] [ACD/IUPAC Name]
3-[2-Oxo-5-(2-thiényl)-1,3,4-oxadiazol-3(2H)-yl]propanoate de 2-oxotétrahydro-3-furanyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 514.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 265.0±32.9 °C
Index of Refraction: 1.699
Molar Refractivity: 76.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.16
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.42
ACD/LogD (pH 7.4): -0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.42
Polar Surface Area: 123 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 69.0±7.0 dyne/cm
Molar Volume: 197.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement